General Information of the Compound
| Compound ID |
CP0532030
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)Nc1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H28N4O3/c31-26(29-23-7-8-24-25(15-23)33-18-32-24)28-16-19-3-1-5-21(13-19)22-6-2-4-20(14-22)17-30-11-9-27-10-12-30/h1-8,13-15,27H,9-12,16-18H2,(H2,28,29,31)
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| InChIKey |
YXOYZWXQUSPZBK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound